Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450350014970536
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.018148379025715197
Energy: 0.018377234026751312
Energy: 1.6582607199392396
Energy: 0.018377234026127027
Energy: 0.018377234026751312
Energy: 1.4517817042712664
Energy: 0.018377234026751312
Energy: 1.4517817042712664
Energy: 1.6582607199385786
Energy: 0.018377234026751312
Energy: 0.018148379025715197
Energy: 0.018377234026751312
Energy: 0.018377234026751312
Energy: 1.4517817042712664
Energy: 0.018377234026751312
Energy: 1.4517817042712664

minimum gb energy = 0.018148379025715197 eV
minimum distance =  2.41577135029407 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.4473567668501635
Energy: 1.4536191950016415
Energy: 1.3891333601269482
Energy: 1.453619195002443
Energy: 1.415733190791653
Energy: 1.4601448441461347
Energy: 1.418578969928806
Energy: 1.4601448441461347
Energy: 1.3579821060153416
Energy: 1.4369870733312042
Energy: 1.390102666284409
Energy: 1.436987073332006
Energy: 1.3962229396079295
Energy: 1.4534186969770455
Energy: 1.3733526977383028
Energy: 1.4534186969770455
Energy: 1.380388474686338
Energy: 1.4598847387694764
Energy: 1.40067366613876
Energy: 1.4598847387686746
Energy: 1.3573491195143323
Energy: 1.6531983480713945
Energy: 1.3422756862004432
Energy: 1.6531983480721961
Energy: 1.4199649710260667
Energy: 1.4360276897056041
Energy: 1.3588842553084115
Energy: 1.4360276897056041
Energy: 1.2745500791543751
Energy: 1.463030564545288
Energy: 1.3394316100934929
Energy: 1.4630305645460897
Energy: 1.3734002861514427
Energy: 1.6929624645311647
Energy: 1.428784226311262
Energy: 1.6929624645311647
Energy: 1.3530888847324816
Energy: 1.4354988708533982
Energy: 1.2650080836714375
Energy: 1.4354988708533982
Energy: 1.4332461737128495
Energy: 1.4490285390421307
Energy: 1.3734537222249263
Energy: 1.4490285390421307
Energy: 1.3964700172591555
Energy: 1.463361507376579
Energy: 1.3699180779500613
Energy: 1.4633615073773811
Energy: 1.4157121765278808
Energy: 1.4304400816923317
Energy: 1.4446016125508025
Energy: 1.430440081693935
Energy: 1.396633454157586
Energy: 1.4467635903321028
Energy: 1.3664636897857392
Energy: 1.446763590331301
Energy: 1.3966441920119752
Energy: 1.453880905522125
Energy: 1.3901760362988917
Energy: 1.4538809055205217
Energy: 1.3967916355299297
Energy: 1.4536593964110895
Energy: 1.4155616930555255
Energy: 1.4536593964110895
Energy: 1.390002595447538
Energy: 1.4368769970729922
Energy: 1.3197958761261332
Energy: 1.4368769970737938
Energy: 1.4186539905986626
Energy: 1.4360562612664542
Energy: 1.4408076968982197
Energy: 1.4360562612656527
Energy: 1.3058818519259936
Energy: 1.4593957067421586
Energy: 1.362141343601246
Energy: 1.4593957067421586
Energy: 1.4419099952092334
Energy: 1.9162040273930712
Energy: 1.3763199387007843
Energy: 1.9162040273930712
Energy: 1.3411349303108289
Energy: 1.4370318948038465
Energy: 1.2889397837297456
Energy: 1.4370318948046483
Energy: 1.3731585846620418
Energy: 1.6423850701934926
Energy: 1.417069925139534
Energy: 1.6423850701926908
Energy: 1.3984231795510844
Energy: 1.4600844225561862
Energy: 1.3271697942745002
Energy: 1.4600844225561862
Energy: 1.381306743622309
Energy: 1.4372886872138044
Energy: 1.3568647247084464
Energy: 1.4372886872130026
Energy: 1.3585015895734935
Energy: 1.6506085724116493
Energy: 1.4198053332819884
Energy: 1.6506085724116493
Energy: 1.3830177485846544
Energy: 1.4629435578034427
Energy: 1.3458515411445553
Energy: 1.4629435578042442
Energy: 1.405033931097928
Energy: 1.6424051336154266
Energy: 1.3733351312048694
Energy: 1.6424051336154266
Energy: 1.338082438306252
Energy: 1.4328178022220044
Energy: 1.3921561524227708
Energy: 1.4328178022212028
Energy: 1.4146028873213539
Energy: 1.4531375480076874
Energy: 1.4081276590956529
Energy: 1.4531375480076874
Energy: 1.5314228594182766
Energy: 1.4549222504659378
Energy: 1.4020652198989745
Energy: 1.4549222504667394
Energy: 1.4197639105416557
Energy: 1.4441290088315246
Energy: 1.4154218853934304
Energy: 1.4441290088315246
Energy: 1.3939089634778739
Energy: 1.4325631204472882
Energy: 1.3970245012552047
Energy: 1.4325631204472882
Energy: 1.380683705079984
Energy: 1.477470114974593
Energy: 1.3762262368349247
Energy: 1.477470114974593

minimum gb energy = 1.2650080836714375 eV
minimum distance =  2.23587423718343 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.7322484408191068
Energy: 1.558322611501897
Energy: 1.4939529460263357
Energy: 1.5583226115028108
Energy: 1.4584696178153946
Energy: 1.5330482993504078
Energy: 1.4765683965264313
Energy: 1.5330482993513217
Energy: 1.4022471601811353
Energy: 1.5616347002100357
Energy: 1.4510749572192212
Energy: 1.5616347002091218
Energy: 1.4223818385011024
Energy: 1.463045967904068
Energy: 1.401132108113593
Energy: 1.463045967904068
Energy: 1.422494226236779
Energy: 1.527234878385353
Energy: 1.4406183500517207
Energy: 1.527234878385353
Energy: 1.4865703566893642
Energy: 1.5270175880584806
Energy: 1.4434646937118931
Energy: 1.5270175880584806
Energy: 1.4644633872036388
Energy: 1.649135034930297
Energy: 1.3939074403657896
Energy: 1.649135034929383
Energy: 1.3161639286336304
Energy: 1.561621007905872
Energy: 1.3922174289705496
Energy: 1.5616210079067863
Energy: 1.4165517919058896
Energy: 2.036770151091756
Energy: 1.5022483689713426
Energy: 2.0367701510908423
Energy: 1.4414549801500554
Energy: 1.561727541621538
Energy: 1.3814910992183709
Energy: 1.561727541621538
Energy: 1.4641763006177364
Energy: 1.5088132557340919
Energy: 1.4767697011366785
Energy: 1.508813255733178
Energy: 1.367247957597481
Energy: 1.5403605342308495
Energy: 1.4540380274795888
Energy: 1.5403605342326776
Energy: 1.5113476876250778
Energy: 1.5218520152830342
Energy: 1.4503380969518718
Energy: 1.5218520152839483
Energy: 1.4771880096094203
Energy: 1.5221163084866292
Energy: 1.4501502372591868
Energy: 1.522116308487543
Energy: 1.3673217718883315
Energy: 1.5405031794316095
Energy: 1.4464457643700792
Energy: 1.5405031794306956
Energy: 1.464327922821005
Energy: 1.5088307049982845
Energy: 1.4765892439877428
Energy: 1.5088307050001126
Energy: 1.441457798643461
Energy: 1.5617207714226962
Energy: 1.4027897337528974
Energy: 1.5617207714254382
Energy: 1.4163592221183223
Energy: 2.0365126532875184
Energy: 1.5021041229976446
Energy: 2.0365126532866045
Energy: 1.3162146670038455
Energy: 1.5616598538876258
Energy: 1.3944149019455452
Energy: 1.5616598538876258
Energy: 1.4647851258448565
Energy: 1.6489466042626368
Energy: 1.3957752029688104
Energy: 1.6489466042608085
Energy: 1.4866929927257178
Energy: 1.5267124489359498
Energy: 1.4327408357096632
Energy: 1.5267124489359498
Energy: 1.42254817249441
Energy: 1.5268303146010018
Energy: 1.4614001355090895
Energy: 1.5268303145991737
Energy: 1.4222968653122265
Energy: 1.463146724152193
Energy: 1.4212109740346768
Energy: 1.4631467241494507
Energy: 1.4020858779087617
Energy: 1.5618510361659124
Energy: 1.4560303992057229
Energy: 1.5618510361649982
Energy: 1.4583757756911564
Energy: 1.5330303599916837
Energy: 1.4763367765877204
Energy: 1.5330303599925974
Energy: 1.7322484408191068
Energy: 1.558322611501897
Energy: 1.4939529380193493
Energy: 1.5583226115028108
Energy: 1.4584696178163088
Energy: 1.5330482993504078
Energy: 1.4765683965255172
Energy: 1.5330482993513217
Energy: 1.4022471601811353
Energy: 1.5616347002100357
Energy: 1.4602064345728958
Energy: 1.5616347002091218
Energy: 1.4223818385011024
Energy: 1.463045967904068
Energy: 1.401132108112679
Energy: 1.463045967904068

minimum gb energy = 1.3161639286336304 eV
minimum distance =  2.20330828195152 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5567104023506402
Energy: 1.6250182895413496
Energy: 1.5783363795871959
Energy: 1.6250182895413496
Energy: 1.5537558523912989
Energy: 1.5943308385075334
Energy: 1.5022925184069467
Energy: 1.5943308385075334
Energy: 1.4749378476930013
Energy: 1.6864360736805148
Energy: 1.5057377538277323
Energy: 1.6864360736805148
Energy: 1.4964838130991283
Energy: 1.5458391899824384
Energy: 1.4518781173365438
Energy: 1.5458391899824384
Energy: 1.453353216986108
Energy: 1.6312493510769162
Energy: 1.5392217627192062
Energy: 1.6312493510769162
Energy: 1.5750480875527633
Energy: 1.6863835971634733
Energy: 1.7004899578757624
Energy: 1.6863835971645356
Energy: 1.5602773408253416
Energy: 1.7633284774389717
Energy: 1.4985442944549832
Energy: 1.7633284774389717
Energy: 1.630415207214282
Energy: 1.6310440203303378
Energy: 1.3953286011527601
Energy: 1.6310440203303378
Energy: 1.4979414505683097
Energy: 1.5753115927359906
Energy: 1.5518863860515657
Energy: 1.5753115927359906
Energy: 1.5248305371047581
Energy: 1.6859609998192526
Energy: 1.4366800528142392
Energy: 1.6859609998192526
Energy: 1.5342616648861551
Energy: 1.6247368924098493
Energy: 1.4996749383366432
Energy: 1.6247368924098493
Energy: 1.5004387663445842
Energy: 1.6246156807468004
Energy: 1.4995967183535432
Energy: 1.6246156807468004
Energy: 1.5055176870659128
Energy: 1.616606616942274
Energy: 1.4368042067056475
Energy: 1.6166066169412112
Energy: 1.4985397138104641
Energy: 1.5811053210776096
Energy: 1.5599682647610538
Energy: 1.5811053210786723
Energy: 1.4429141489313444
Energy: 1.632797556764204
Energy: 1.3929009832447576
Energy: 1.632797556764204
Energy: 1.5539508761879424
Energy: 1.7637469722364605
Energy: 1.4550151647113725
Energy: 1.7637469721536307
Energy: 1.368285449895727
Energy: 1.6864988110569437
Energy: 1.3682759566661746
Energy: 1.6864988110569437
Energy: 1.4520194884347513
Energy: 1.5934057020749983
Energy: 1.5377569229158505
Energy: 1.593405702076061
Energy: 1.4947531907263283
Energy: 1.626527463176233
Energy: 1.454740049516066
Energy: 1.626527463176233
Energy: 1.582090092855292
Energy: 1.6860267812560281
Energy: 1.5064858835222652
Energy: 1.6860267812560281
Energy: 1.5156377027503327
Energy: 1.5860450917062472
Energy: 1.5001746814738413
Energy: 1.5860450917051847
Energy: 1.56552435908098
Energy: 1.6256949485173575
Energy: 1.5691364600479925
Energy: 1.6256949485173575
Energy: 1.5529013801907159
Energy: 1.6042759249594094
Energy: 1.505083692386183
Energy: 1.6042759249594094
Energy: 1.4735188811623663
Energy: 1.6849740604410686
Energy: 1.5244149394774331
Energy: 1.6849740604410686
Energy: 1.4994896320439703
Energy: 1.54640658006687
Energy: 1.4519006694187497
Energy: 1.5464065800679327

minimum gb energy = 1.3682759566661746 eV
minimum distance =  2.20104223604693 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.658784077123531
Energy: 1.6598545167741667
Energy: 1.6364567325119987
Energy: 1.659854516772899
Energy: 1.5498264831383846
Energy: 1.69229392082975
Energy: 1.5638130807520412
Energy: 1.69229392082975
Energy: 1.5501254273489746
Energy: 1.616162362767568
Energy: 1.5909497703925193
Energy: 1.6161623622810375
Energy: 1.857719916149667
Energy: 1.6046378979658669
Energy: 1.4725351267556455
Energy: 1.604637897968402
Energy: 1.6739801121806304
Energy: 1.685989614719361
Energy: 1.782354487667909
Energy: 1.685989614719361
Energy: 1.4144364505845843
Energy: 1.7045627401969403
Energy: 1.5977991937971285
Energy: 1.704562740198208
Energy: 1.5751919532579386
Energy: 1.5965803728597785
Energy: 1.4730283676868061
Energy: 1.5965803728597785
Energy: 1.5676836874327587
Energy: 1.7044528106218941
Energy: 1.4582500588013898
Energy: 1.7044528106231618
Energy: 1.5759876476396195
Energy: 1.6924085618997633
Energy: 1.654976934729609
Energy: 1.6924085618997633
Energy: 1.6006349523918815
Energy: 1.6585174881911162
Energy: 1.5973764551087946
Energy: 1.6585174881911162
Energy: 1.4965441647407212
Energy: 1.701518627516769
Energy: 1.5832629161596345
Energy: 1.701518627516769
Energy: 1.7089882500864577
Energy: 1.6664844553245286
Energy: 1.4726228569083648
Energy: 1.6664844553245286
Energy: 1.414196478174032
Energy: 1.7027782934382143
Energy: 1.5261494493731644
Energy: 1.7027782934382143
Energy: 1.5694889508077923
Energy: 2.283690159477356
Energy: 1.5629254716753063
Energy: 2.2836901594786236
Energy: 1.4142240607787013
Energy: 1.6161568317489756
Energy: 1.5672646411478919
Energy: 1.616156831751511
Energy: 1.7095448499226107
Energy: 1.666421738819643
Energy: 1.4726234330865393
Energy: 1.6664217388184044
Energy: 1.4948740294285017
Energy: 1.7014383263970942
Energy: 1.5569590397636544
Energy: 1.7014383263983617
Energy: 1.6007686123893987
Energy: 1.6587683409935305
Energy: 1.5972478217229664
Energy: 1.658768340994798
Energy: 1.5760071268936544
Energy: 1.692450983800337
Energy: 1.6548928685711417
Energy: 1.6924509837990693
Energy: 1.5676584262951934
Energy: 1.7042786218160555
Energy: 1.4579211654292663
Energy: 1.704278621817323
Energy: 1.5751954078589578
Energy: 1.5967944105601672
Energy: 1.47310187732993
Energy: 1.5967944105601672

minimum gb energy = 1.414196478174032 eV
minimum distance =  2.2464985096763 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.496976221673177
Energy: 1.8215782163735177
Energy: 1.786483711200012
Energy: 1.8215782163719503
Energy: 1.4638921758386116
Energy: 1.6624305027238822
Energy: 1.439073943998085
Energy: 1.6624305027223145
Energy: 1.663790359842946
Energy: 1.8456965013447195
Energy: 1.4392877459876279
Energy: 1.8456965013447195
Energy: 1.7230796394963748
Energy: 1.6532395764696257
Energy: 1.6549498023000684
Energy: 1.6532395764696257
Energy: 1.6524255214774408
Energy: 1.4631866207696853
Energy: 1.5039412642641654
Energy: 1.4631866207696853
Energy: 1.4395662908958522
Energy: 1.8898559210116208
Energy: 1.6626613933527241
Energy: 1.8898559210116208
Energy: 1.502415242383254
Energy: 1.681075761357795
Energy: 1.6634243810590805
Energy: 1.681075761357795
Energy: 1.660997661417406
Energy: 1.8255495562181268
Energy: 1.5017897507664366
Energy: 1.8255495562181268
Energy: 1.439368949706004
Energy: 1.6623077763031047
Energy: 1.4650869155659918
Energy: 1.6623077763031047
Energy: 1.7112375204900112
Energy: 1.705114781922979
Energy: 1.6630322963816584
Energy: 1.7051147819214116
Energy: 1.5387132107060009
Energy: 1.8350578813977856
Energy: 1.8426472996425625
Energy: 1.8350578813977856
Energy: 1.4393477860246164
Energy: 1.6245745538492917
Energy: 1.712337055007821
Energy: 1.6245745538508591
Energy: 1.6334796544373904
Energy: 1.8455801772265845
Energy: 1.439126086627482
Energy: 1.8455801772265845
Energy: 1.4395315117769758
Energy: 1.6813283469969722
Energy: 1.7244163428507873
Energy: 1.6813283469969722
Energy: 1.5022903934944218
Energy: 1.8232285274556481
Energy: 1.8582308062482593
Energy: 1.8232285274556481
Energy: 1.4639603538984878
Energy: 1.6640967099869781
Energy: 1.4443854636530409
Energy: 1.6640967099869781
Energy: 1.4396319704477536
Energy: 1.5695173640990943
Energy: 1.7106416268961404
Energy: 1.5695173640990943

minimum gb energy = 1.439073943998085 eV
minimum distance =  2.28752579522281 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.6872202272986092
Energy: 1.6968603808861005
Energy: 1.9013380532065576
Energy: 1.6968603808869884
Energy: 1.7201166363057938
Energy: 1.5706760010812693
Energy: 1.4773705024510972
Energy: 1.570676001082157
Energy: 1.8488204981551553
Energy: 1.8159724200417204
Energy: 1.476523645187307
Energy: 1.815972420040833
Energy: 1.613704779992838
Energy: 1.8365199154965675
Energy: 1.6693042330041399
Energy: 1.8365199154956797
Energy: 1.745096579108885
Energy: 1.7438959832784653
Energy: 1.5835325878141764
Energy: 1.7438959832784653
Energy: 1.5016864740788338
Energy: 1.6683717785861132
Energy: 1.6978135312808178
Energy: 1.6683717785861132
Energy: 1.5750967615504037
Energy: 1.6579570886865895
Energy: 1.575751920266267
Energy: 1.6579570886874773
Energy: 1.6933938955799073
Energy: 1.6684781475627686
Energy: 1.4994387959314992
Energy: 1.6684781475946886
Energy: 1.5028252164445177
Energy: 1.834674083838625
Energy: 1.712166240800989
Energy: 1.8346740838377371
Energy: 1.8468456511779177
Energy: 1.640226768380048
Energy: 1.4777801667631256
Energy: 1.6402267683809357
Energy: 1.482624739588096
Energy: 1.7111394929270378
Energy: 1.8575753553093062
Energy: 1.7111394929270378
Energy: 1.5925618173766007
Energy: 1.6555389797737032
Energy: 1.5928965769828562
Energy: 1.6555389797737032
Energy: 1.7211388194713289
Energy: 1.6986458245290568
Energy: 1.66172317312768
Energy: 1.6986458245290568
Energy: 1.47675148304282
Energy: 1.8483136993144633
Energy: 1.708285342783347
Energy: 1.8483136993135754
Energy: 1.629453428404575
Energy: 1.6576949426871408
Energy: 1.6565019168072252
Energy: 1.6576949426871408
Energy: 1.707745438440977
Energy: 1.679726167925651
Energy: 1.6928108232278716
Energy: 1.6797261679398152
Energy: 1.5752141577025165
Energy: 1.7297717280074583
Energy: 1.8681832588736498
Energy: 1.7297717280074583
Energy: 1.665401659347173
Energy: 1.6787652003165914
Energy: 1.502379268482001
Energy: 1.6787652003165914
Energy: 1.5714188036442347
Energy: 1.7301477710200261
Energy: 1.706598551214562
Energy: 1.7301477710200261
Energy: 1.5776996400332424
Energy: 1.8353859640883112
Energy: 1.6322111339120033
Energy: 1.8353859640874233
Energy: 1.578658424713782
Energy: 1.8155477235850184
Energy: 1.6896329497328353
Energy: 1.8155477236223052
Energy: 1.5769304877747259
Energy: 1.7672270288381682
Energy: 1.8409077419837847
Energy: 1.7672270288381682
Energy: 1.6880522393424842
Energy: 1.8317927497732809
Energy: 1.4764450592998295
Energy: 1.8317927497750564
Energy: 1.594362126681759
Energy: 1.6575484097540831
Energy: 1.691735296017507
Energy: 1.6575484097531954
Energy: 1.6657054280100902
Energy: 1.8154673555923364
Energy: 1.7072613712237845
Energy: 1.8154673555923364
Energy: 1.771320736787419
Energy: 1.831097258467563
Energy: 1.4782853699541778
Energy: 1.831097258467563
Energy: 1.5782001985168106
Energy: 1.7803485574258968
Energy: 1.8863557674770215
Energy: 1.7803485574258968
Energy: 1.6976885982252918
Energy: 1.6801750118270775
Energy: 1.7019795894598295
Energy: 1.6801750118270775
Energy: 1.8461552725565105
Energy: 1.852414081410537
Energy: 1.5791347746716413
Energy: 1.852414081409649
Energy: 1.4996917503312683
Energy: 1.7309302884569204
Energy: 1.6672694774441894
Energy: 1.7309302884578082

minimum gb energy = 1.4764450592998295 eV
minimum distance =  2.17938680006317 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.3922879857266692
Energy: 1.3919463976966824
Energy: 1.8447548638840452
Energy: 1.3919463976966824
Energy: 1.703421706849294
Energy: 1.5685873525609648
Energy: 1.5218414042834576
Energy: 1.5685873525630083
Energy: 1.3932123646923191
Energy: 1.391684340163539
Energy: 1.6422509235106777
Energy: 1.391684340163539
Energy: 1.3931126919362824
Energy: 1.3915910533570717
Energy: 1.5692167189134163
Energy: 1.3915910533570717
Energy: 1.7034650355969623
Energy: 1.5685529507929865
Energy: 1.702024839481418
Energy: 1.5685529507929865
Energy: 1.3922879857266692
Energy: 1.391946397698726
Energy: 1.9630507941664685
Energy: 1.3919463976966824
Energy: 1.7034205618975546
Energy: 1.5685873525609648
Energy: 1.7013529614862781
Energy: 1.5685873525630083
Energy: 1.3932123646923191
Energy: 1.391684340163539
Energy: 1.6422509180764961
Energy: 1.391684340163539
Energy: 1.3931126919383263
Energy: 1.3915910533570717
Energy: 1.7013001256414821
Energy: 1.3915910533591156
Energy: 1.7034649422516082
Energy: 1.5685529507929865
Energy: 1.8138936636136365
Energy: 1.5685529507929865
Energy: 1.3922879857266692
Energy: 1.3919463976966824
Energy: 1.9630507941685127
Energy: 1.3919463976966824
Energy: 1.7034205513294962
Energy: 1.5685873525609648
Energy: 1.701352961488322
Energy: 1.5685873525630083
Energy: 1.3932123646923191
Energy: 1.391684340163539
Energy: 1.6422509194105157
Energy: 1.391684340163539

minimum gb energy = 1.3915910533570717 eV
minimum distance =  2.26579094656526 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.547594417588237
Energy: 1.826028381866384
Energy: 1.9789898176137155
Energy: 1.8260283818656275
Energy: 1.9075069390704447
Energy: 1.6143780780786017
Energy: 1.5568351310884883
Energy: 1.6143780780778452
Energy: 1.539558435922522
Energy: 1.5279892992140247
Energy: 1.571715780314087
Energy: 1.5279892992140247
Energy: 1.7595645807372322
Energy: 1.8840779405634929
Energy: 1.6366601865629105
Energy: 1.8840779405642494
Energy: 1.7630768778834347
Energy: 1.6083751820359469
Energy: 1.5468487078852047
Energy: 1.6083751820351904
Energy: 1.527529994254582
Energy: 1.527059088298972
Energy: 1.7789713521768196
Energy: 1.5270590882997286
Energy: 2.0521419954037357
Energy: 1.600417630627945
Energy: 1.587323474207363
Energy: 1.600417630627945
Energy: 1.5540629418986942
Energy: 1.889621136876726
Energy: 1.784571313533809
Energy: 1.889621136876726
Energy: 1.5426699267108273
Energy: 1.714457568766702
Energy: 1.5265700378655203
Energy: 1.7144575687674586
Energy: 1.5396833716743048
Energy: 1.6128509008390404
Energy: 1.5595357797577685
Energy: 1.6128509008382839
Energy: 1.556422550000465
Energy: 1.6937515366419484
Energy: 1.9788364934680938
Energy: 1.6937515366358966
Energy: 1.7964454866186694
Energy: 1.8243367392443375
Energy: 1.549866484897101
Energy: 1.8243367392292082
Energy: 1.5432104558096413
Energy: 1.6856321383703712
Energy: 1.8684562516207281
Energy: 1.685632138369615
Energy: 1.7887135105645426
Energy: 1.9195123699990648
Energy: 1.557842907585
Energy: 1.9195123699998213
Energy: 1.5615364978593835
Energy: 1.7624049227953973
Energy: 1.7678731981156413
Energy: 1.7624049227938838
Energy: 1.54596927838327
Energy: 1.9022894154805001
Energy: 1.7626916946793858
Energy: 1.9022894154805001
Energy: 1.6990939418446218
Energy: 1.7616810476626652
Energy: 1.5615642840519588
Energy: 1.7616810476626652
Energy: 1.5904780376095324
Energy: 1.6006193398838666
Energy: 1.840550553382443
Energy: 1.6006193398831101
Energy: 1.8187343512870646
Energy: 1.768061376096443
Energy: 1.5308319329612452
Energy: 1.768061376096443
Energy: 1.5482219130419608
Energy: 1.634541811117106
Energy: 1.7261376343599895
Energy: 1.6345418111155927
Energy: 1.7688905474959316
Energy: 1.8811500435127673
Energy: 1.760051792389222
Energy: 1.8811500435127673
Energy: 1.730372123284895
Energy: 1.7422471308082355
Energy: 1.540010297819887
Energy: 1.7422471308082355
Energy: 1.52711388055875
Energy: 1.76749664602064
Energy: 1.5431306531713216
Energy: 1.76749664602064
Energy: 1.9723422663561392
Energy: 1.6892615463699214
Energy: 1.5545129944571976
Energy: 1.6892615463721905
Energy: 1.5574780498181335
Energy: 1.8291791705825764
Energy: 1.9501045180305796
Energy: 1.8291791705840894
Energy: 1.666446741503901
Energy: 1.52797698992169
Energy: 1.5392073349678506
Energy: 1.5279769899209337
Energy: 1.694767443307254
Energy: 1.7484023367335646
Energy: 1.7431079530715425
Energy: 1.7484023367615538
Energy: 1.5478932646524994
Energy: 1.8844261348816198
Energy: 1.7440759296341346
Energy: 1.8844261348816198
Energy: 1.6580805287833418
Energy: 1.527144594547958
Energy: 1.538143987983931
Energy: 1.527144594547958
Energy: 1.5569436839916375
Energy: 1.8289156572114387
Energy: 1.9519570683767593
Energy: 1.8289156572114387
Energy: 1.8738620881011887
Energy: 1.6914672065023868
Energy: 1.553056894563445
Energy: 1.6914672065001175
Energy: 1.527525213049367
Energy: 1.6040176329155176
Energy: 1.5395513979453284
Energy: 1.604017632916274
Energy: 1.557151668541551
Energy: 1.7500305426854574
Energy: 1.5386640051687466
Energy: 1.750030542686214
Energy: 1.7751689704605105
Energy: 1.8840263475461576
Energy: 1.759359545301243
Energy: 1.8840263475461576
Energy: 1.5463623897593508
Energy: 1.807622774232381
Energy: 2.072241128234656
Energy: 1.807622774232381

minimum gb energy = 1.5265700378655203 eV
minimum distance =  2.20449620349881 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.6755595460812114
Energy: 1.680872740196793
Energy: 1.8827561776522004
Energy: 1.6808727401931922
Energy: 1.8338704435129536
Energy: 1.6762906372609492
Energy: 1.5400297474269242
Energy: 1.6762906372609492
Energy: 1.5905705324003685
Energy: 1.5388403834411375
Energy: 1.5466691822496617
Energy: 1.5388403834411375
Energy: 1.563424756970119
Energy: 1.7797640606551894
Energy: 1.6772556304690027
Energy: 1.7797640606551894
Energy: 1.6752853915296035
Energy: 1.6775636008746275
Energy: 1.597204450133326
Energy: 1.6775636008734272
Energy: 1.6038976907495215
Energy: 1.829491322673039
Energy: 1.8861785336058647
Energy: 1.8294913226742389
Energy: 2.0110039082886613
Energy: 1.764503234593208
Energy: 1.6283988438146209
Energy: 1.764503234593208
Energy: 1.5605254219060907
Energy: 1.5386984163710815
Energy: 1.9044511128826682
Energy: 1.5386984163710815
Energy: 1.9520326320859436
Energy: 1.5396101460848457
Energy: 1.5387677497832593
Energy: 1.5396101460848457
Energy: 1.590297461356844
Energy: 1.6849465396051997
Energy: 1.5920935127514426
Energy: 1.6849465396051997
Energy: 1.5578845064511724
Energy: 1.538923063174541
Energy: 1.8865091815632977
Energy: 1.538923063174541
Energy: 1.83443790813117
Energy: 1.7781436366477363
Energy: 1.5639365377117207
Energy: 1.7781436366465362
Energy: 1.5929615991692068
Energy: 1.6384785426821449
Energy: 1.8706158436982745
Energy: 1.6384785426821449
Energy: 1.8792583703228838
Energy: 1.7601208289013777
Energy: 1.6002326846601238
Energy: 1.7601208289001775
Energy: 1.5677395041831033
Energy: 1.8319623826534956
Energy: 1.9481469298273653
Energy: 1.8319623826534956
Energy: 1.884452126827381
Energy: 1.5417518196810551
Energy: 1.5610456489009863
Energy: 1.5417518196798552
Energy: 1.6694516639653114
Energy: 1.676108466015445
Energy: 1.5965149439819206
Energy: 1.6761084660214463
Energy: 1.6697556422813942
Energy: 1.7871306902543498
Energy: 1.5965335125411717
Energy: 1.7871306902543498
Energy: 1.820321265882436
Energy: 1.5387725020773846
Energy: 1.557960283847533
Energy: 1.5387725020773846
Energy: 1.6124309063624307
Energy: 1.725178195270227
Energy: 2.005688405721422
Energy: 1.725178195270227
Energy: 1.9232583448014298
Energy: 1.830794808981061
Energy: 1.6012599499024045
Energy: 1.830794808981061
Energy: 1.6770603664789272
Energy: 1.6908420813903133
Energy: 1.7603837783072545
Energy: 1.6908420813915137

minimum gb energy = 1.5386984163710815 eV
minimum distance =  2.21807857480876 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.5774359699833709
Energy: 1.578011417177758
Energy: 1.9232707709775752
Energy: 1.5780114171743633
Energy: 1.970347204137103
Energy: 1.6970869189787947
Energy: 1.5979564827709567
Energy: 1.6970869189804534
Energy: 1.5630392641538555
Energy: 1.818501560897292
Energy: 1.6388123238598982
Energy: 1.8185015608989894
Energy: 1.6562824941556717
Energy: 1.6720039992743627
Energy: 1.6128454494897835
Energy: 1.6720039992735143
Energy: 1.583937540875778
Energy: 1.678063396123561
Energy: 1.5688453196653511
Energy: 1.6780633961218636
Energy: 1.566700842254279
Energy: 1.5776332155892123
Energy: 1.9222293551954273
Energy: 1.5776332155892123
Energy: 1.8805576502601948
Energy: 1.8652801507997843
Energy: 1.6189971985719496
Energy: 1.8652801507989358
Energy: 1.566346835869281
Energy: 1.5781768929488298
Energy: 2.046611005853576
Energy: 1.578176892947981
Energy: 1.8327410529112513
Energy: 1.6530170543493226
Energy: 1.6103762259583145
Energy: 1.6530170543476252
Energy: 1.58091226154368
Energy: 1.6738764396377193
Energy: 1.756616908876702
Energy: 1.6738764396368704
Energy: 1.6950058835795665
Energy: 1.8200096037959148
Energy: 1.6951137731520376
Energy: 1.8200096037976123
Energy: 1.5788835364101346
Energy: 1.6785077896331198
Energy: 1.6579460905441112
Energy: 1.6785077896356655
Energy: 1.5777808845548442
Energy: 1.578986440223096
Energy: 1.6600110858079418
Energy: 1.5789864402247933
Energy: 1.639472704637468
Energy: 1.5665396624675063
Energy: 1.6391744377444717
Energy: 1.5665396624683547
Energy: 1.5779616483388852
Energy: 1.8781301627056255
Energy: 1.9321842353434329
Energy: 1.8781301627056255
Energy: 2.0090708029139615
Energy: 1.5659418916780794
Energy: 1.5830133179549228
Energy: 1.5659418916772307
Energy: 1.5975978861958255
Energy: 1.678459904635624
Energy: 1.8224902333033381
Energy: 1.678459904633078
Energy: 1.5691603030073487
Energy: 1.813394319971541
Energy: 1.657558676103691
Energy: 1.8133943199706923
Energy: 1.5972490992264063
Energy: 1.5777263121519831
Energy: 1.6723883058105427
Energy: 1.5777263121511342
Energy: 1.5801509650286074
Energy: 1.6557333025082546
Energy: 1.671827325285561
Energy: 1.6557333025099517
Energy: 1.6961744312276767
Energy: 1.8225292068999592
Energy: 1.6095943244780868
Energy: 1.8225292069050512
Energy: 1.591436893188645
Energy: 1.5784184237324517
Energy: 1.83127338167452
Energy: 1.578418423731603
Energy: 1.9396165917714958
Energy: 1.7705899865487755
Energy: 1.605581571752817
Energy: 1.770589986550473
Energy: 1.583224541463748
Energy: 1.5788113503659198
Energy: 2.020207078832442
Energy: 1.5788113503676173
Energy: 1.6688808894483158
Energy: 1.656123873592712
Energy: 1.5861147401177218
Energy: 1.6561238735935604
Energy: 1.6328358680185824
Energy: 1.8177082447183197
Energy: 1.6463960428919548
Energy: 1.8177082447208657
Energy: 1.583375036046306
Energy: 1.6735732645855885
Energy: 1.6006987693502475
Energy: 1.6735732645847397
Energy: 1.6343765027425998
Energy: 1.6785323290062908
Energy: 1.6126611316152184
Energy: 1.6785323290096854
Energy: 1.5619556002915909
Energy: 1.5794864085966152
Energy: 1.8100088184186138
Energy: 1.5794864085991613
Energy: 1.815328305761875
Energy: 1.6242583199381542
Energy: 1.598068016558015
Energy: 1.6242583199407001
Energy: 1.5621070421622179
Energy: 1.5787624918361436
Energy: 1.8371494652684992
Energy: 1.5787624918369922

minimum gb energy = 1.5619556002915909 eV
minimum distance =  2.20314575691891 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.5211046992636308
Energy: 1.4833361821750946
Energy: 1.712337157324079
Energy: 1.483336182174799
Energy: 1.672047537687201
Energy: 1.5225465106366793
Energy: 1.5893157868435213
Energy: 1.5225465106363838
Energy: 1.601946911446611
Energy: 1.5758360974495298
Energy: 1.6013651750921334
Energy: 1.5758360974492671
Energy: 1.5192874715433085
Energy: 1.4535023336124238
Energy: 1.6444640077830686
Energy: 1.4535023336124238
Energy: 1.5216358254992859
Energy: 1.5362580947872213
Energy: 1.6541112136705283
Energy: 1.5362580947875168
Energy: 1.6015221358754559
Energy: 1.5766004956308142
Energy: 1.6014942249065323
Energy: 1.5766004956308142
Energy: 1.5536772645646835
Energy: 1.5365205312982686
Energy: 1.5215218578235465
Energy: 1.5365205312979728
Energy: 1.6443779798306122
Energy: 1.4536480521170452
Energy: 1.5193823673403266
Energy: 1.4536480521156
Energy: 1.6013804704546124
Energy: 1.5757920025151002
Energy: 1.6720312194795348
Energy: 1.5757920025145418

minimum gb energy = 1.4535023336124238 eV
minimum distance =  2.26144676441188 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.4991973686276974
Energy: 1.5085080749092874
Energy: 1.7430802419449147
Energy: 1.5085080749100892
Energy: 1.7081941323869605
Energy: 1.4785481657871051
Energy: 1.5017706909167503
Energy: 1.4785481657855017
Energy: 1.4778073705794728
Energy: 1.497103013815683
Energy: 1.733070992207583
Energy: 1.4971030138164847
Energy: 1.481846097399646
Energy: 1.5687659371216134
Energy: 1.4731576401282644
Energy: 1.5687659371200102
Energy: 1.478725671197892
Energy: 1.5753498123712801
Energy: 1.6872475555405744
Energy: 1.5753498123712801
Energy: 1.5688153130655496
Energy: 1.509987645124792
Energy: 1.4537854124311405
Energy: 1.5099876451255938
Energy: 1.4530856792953328
Energy: 1.5731084860595954
Energy: 1.4710534779387585
Energy: 1.5731084860595954
Energy: 1.4640164470342043
Energy: 1.5087809067988838
Energy: 1.481105674959354
Energy: 1.5087809067996856
Energy: 1.4654001749511476
Energy: 1.5729015829294264
Energy: 1.4744209101726133
Energy: 1.572901582930228
Energy: 1.4691224599936348
Energy: 1.573810891426929
Energy: 1.4959008457250058
Energy: 1.573810891426929
Energy: 1.5081108323491268
Energy: 1.5093860178205722
Energy: 1.4787472856334114
Energy: 1.5093860178213738
Energy: 1.4860059334192313
Energy: 1.5815819080057636
Energy: 1.5748701534120402
Energy: 1.5815819080065652
Energy: 1.5703447430257438
Energy: 1.508510402615572
Energy: 1.5142811480879488
Energy: 1.5085104026147702
Energy: 1.4895771258045818
Energy: 1.5095327143365214
Energy: 1.5207811490901488
Energy: 1.5095327143365214
Energy: 1.5537825374056904
Energy: 1.4658172582380626
Energy: 1.4787852966451838
Energy: 1.4658172582372608
Energy: 1.4711860238003065
Energy: 1.4971918481131108
Energy: 1.7247386141454
Energy: 1.4971918481139126
Energy: 1.7145336706676109
Energy: 1.4900127617794856
Energy: 1.4981258254612668
Energy: 1.4900127617802872
Energy: 1.4763637957529343
Energy: 1.5083848419216948
Energy: 1.875068060109727
Energy: 1.5083848419216948
Energy: 1.4756060764349688
Energy: 1.5768244656157786
Energy: 1.4566671825190656
Energy: 1.5768244656157786
Energy: 1.464459739282963
Energy: 1.648998576483398
Energy: 1.4806647447101071
Energy: 1.6489985764850015
Energy: 1.4797908414731336
Energy: 1.5647240517345387
Energy: 1.4690622429976603
Energy: 1.5647240517345387
Energy: 1.5061903272910968
Energy: 1.573588816629043
Energy: 1.465918845648515
Energy: 1.5735888166282412
Energy: 1.4806640933995412
Energy: 1.508756477852954
Energy: 1.4741960324158354
Energy: 1.5087564778545575
Energy: 1.5090811070190684
Energy: 1.5176125492793429
Energy: 1.480203592238174
Energy: 1.5176125492448715
Energy: 1.5073468395156833
Energy: 1.5008288787555784
Energy: 1.4787559002774693
Energy: 1.5008288787523718
Energy: 1.4955047335530176
Energy: 1.508847156259243
Energy: 1.479390513230139
Energy: 1.508847156259243
Energy: 1.4806884826554132
Energy: 1.5561968836370828
Energy: 1.5514102926940605
Energy: 1.5561968836370828
Energy: 1.750546703255482
Energy: 1.5780063058922988
Energy: 1.471304273803248
Energy: 1.5780063058898939
Energy: 1.4858294937155447
Energy: 1.4788644880770263
Energy: 1.5143483855641655
Energy: 1.4788644880770263
Energy: 1.8778253345768376
Energy: 1.5079852386132637
Energy: 1.4763905238331314
Energy: 1.5079852386140655
Energy: 1.461179913182178
Energy: 1.4815558795287382
Energy: 1.6434711683129637
Energy: 1.48155587952954
Energy: 1.690032934494655
Energy: 1.5702067795547885
Energy: 1.4758350670393054
Energy: 1.57020677955559
Energy: 1.4740679160450056
Energy: 1.5685211213923012
Energy: 1.4587712442096652
Energy: 1.5685211213923012

minimum gb energy = 1.4530856792953328 eV
minimum distance =  2.20156365125493 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.4495876191535086
Energy: 1.4495030492624712
Energy: 1.721078442115003
Energy: 1.4495030492613628
Energy: 1.5121377359806472
Energy: 1.4020782247050476
Energy: 1.4279123091040755
Energy: 1.4020782247050476
Energy: 1.3948907363151843
Energy: 1.4500459584391154
Energy: 1.6384573907903697
Energy: 1.4500459584391154
Energy: 1.6966448179591875
Energy: 1.5296388874542663
Energy: 1.4098330872319405
Energy: 1.529638887453158
Energy: 1.395343421336565
Energy: 1.4485220183705891
Energy: 1.6870867199729136
Energy: 1.4485220183716976
Energy: 1.396218591186085
Energy: 1.529612129686027
Energy: 1.4099950240689674
Energy: 1.529612129686027
Energy: 1.3892518626155053
Energy: 1.5705261801897508
Energy: 1.4781310282212556
Energy: 1.5705261801919674
Energy: 1.3889693515832549
Energy: 1.4515112121364093
Energy: 1.508778635125493
Energy: 1.451511212135301
Energy: 1.4488207626543415
Energy: 1.4501351208583972
Energy: 1.4693678953576415
Energy: 1.4501351208583972
Energy: 1.448910932348085
Energy: 1.4500963076892073
Energy: 1.4802816280780562
Energy: 1.450096307691424
Energy: 1.3889433794309225
Energy: 1.451534290937221
Energy: 1.5086746298297213
Energy: 1.4515342909361129
Energy: 1.3955191203429655
Energy: 1.5705108706092052
Energy: 1.415611566070986
Energy: 1.5705108706103135
Energy: 1.3975410708066778
Energy: 1.5293207965146407
Energy: 1.409962902636074
Energy: 1.5293207965146407
Energy: 1.3953168084227014
Energy: 1.4485212740396067
Energy: 1.6051339022205868
Energy: 1.4485212740384985
Energy: 1.6967480912663317
Energy: 1.5296575747078343
Energy: 1.4095644045912672
Energy: 1.5296575747067258
Energy: 1.39465772015355
Energy: 1.450060428152784
Energy: 1.5711450424561098
Energy: 1.450060428152784
Energy: 1.5122421937437216
Energy: 1.4020889089114623
Energy: 1.4278783141800795
Energy: 1.4020889089114623
Energy: 1.4495876191535086
Energy: 1.4495030492624712
Energy: 1.7303963909239737
Energy: 1.4495030492624712
Energy: 1.5121377359806472
Energy: 1.4020782247050476
Energy: 1.4279123091040755
Energy: 1.4020782247050476
Energy: 1.3948907363151843
Energy: 1.4500459584391154
Energy: 1.9025926946026976
Energy: 1.450045958438007
Energy: 1.6966448178794313
Energy: 1.5296388874542663
Energy: 1.4098330872319405
Energy: 1.529638887453158
Energy: 1.395343421336565
Energy: 1.4485220183705891
Energy: 1.6870867199729136
Energy: 1.4485220183705891
Energy: 1.3962185911871934
Energy: 1.529612129686027
Energy: 1.4099950240689674
Energy: 1.529612129686027
Energy: 1.3892518626143968
Energy: 1.5705261801908592
Energy: 1.4781310282201474
Energy: 1.5705261801919674

minimum gb energy = 1.3889433794309225 eV
minimum distance =  2.21838656616131 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.434748169646438
Energy: 1.4350178323962848
Energy: 1.7296382939847732
Energy: 1.4350178323955998
Energy: 1.6699594736559524
Energy: 1.4219653147173248
Energy: 1.4022006020047542
Energy: 1.4219653147152695
Energy: 1.3998495013873768
Energy: 1.4186530213800346
Energy: 1.7058496208708227
Energy: 1.4186530213800346
Energy: 1.5402150746614083
Energy: 1.3879003055499775
Energy: 1.3964630169374925
Energy: 1.3879003055513477
Energy: 1.3965599973035001
Energy: 1.5158149127506866
Energy: 1.737853849424409
Energy: 1.5158149127506866
Energy: 1.390182999979042
Energy: 1.6610750743476013
Energy: 1.4141887573721537
Energy: 1.661075074346916
Energy: 1.4245646781893349
Energy: 1.493643681812117
Energy: 1.4677054793509468
Energy: 1.4936436818114323
Energy: 1.4167473375346127
Energy: 1.6716543422134695
Energy: 1.4075180683542852
Energy: 1.6716543422134695
Energy: 1.4335727347771694
Energy: 1.6715663231651352
Energy: 1.5160003987948787
Energy: 1.6715663231658202
Energy: 1.4179865488805534
Energy: 1.4823135445935929
Energy: 1.4030415118668234
Energy: 1.4823135445970184
Energy: 1.3911602756552648
Energy: 1.4544042447636853
Energy: 1.4035403759070144
Energy: 1.4544042447657404
Energy: 1.3899611616610903
Energy: 1.4864116915224166
Energy: 1.4172745468313475
Energy: 1.4864116915217314
Energy: 1.3879400716059864
Energy: 1.6611876295390628
Energy: 1.4011621913824437
Energy: 1.6611876295370074
Energy: 1.4206808169949563
Energy: 1.5142611994592718
Energy: 1.4341699043994702
Energy: 1.514261199459957
Energy: 1.4604740052823209
Energy: 1.653986045084074
Energy: 1.44662806702234
Energy: 1.653986045084759
Energy: 1.4050530136255701
Energy: 1.4194269342685204
Energy: 1.7570996682336932
Energy: 1.419426934267835
Energy: 1.4527199538037756
Energy: 1.6522842236400253
Energy: 1.4009345451374149
Energy: 1.6522842236400253
Energy: 1.390501604559199
Energy: 1.4352361635602706
Energy: 1.7051020469848444
Energy: 1.4352361635609558
Energy: 1.5950728204902829
Energy: 1.4886191362987478
Energy: 1.4018611032378077
Energy: 1.4886191362987478
Energy: 1.4077439413741943
Energy: 1.4196235917881646
Energy: 1.7665543675007152
Energy: 1.4196235917867945
Energy: 1.4316869843600684
Energy: 1.4120191951098051
Energy: 1.4219079926260785
Energy: 1.4120191951104901
Energy: 1.4222174406373131
Energy: 1.6865457296519897
Energy: 1.5939870837497159
Energy: 1.6865457296519897
Energy: 1.7917655804337531
Energy: 1.4043496671863103
Energy: 1.4100788260275898
Energy: 1.4043496671863103
Energy: 1.4018889794815816
Energy: 1.495909190625457
Energy: 1.605021299010275
Energy: 1.495909190627512
Energy: 1.7181900178607685
Energy: 1.4360502184584703
Energy: 1.3927142082247521
Energy: 1.4360502184591555
Energy: 1.4037180152354543
Energy: 1.5158295147445615
Energy: 1.4470100628623632
Energy: 1.5158295147445615
Energy: 1.588712534337289
Energy: 1.4747792313986816
Energy: 1.3969813837352336
Energy: 1.4747792313993668
Energy: 1.4472436672324083
Energy: 1.6519375117285497
Energy: 1.4608288964706762
Energy: 1.6519375117292348
Energy: 1.4338524776111756
Energy: 1.5137023378232273
Energy: 1.4174398181362675
Energy: 1.5137023378239123
Energy: 1.4188465480759085
Energy: 1.4709279609965888
Energy: 1.4712650491299155
Energy: 1.4709279609965888
Energy: 1.3972969275562968
Energy: 1.5115162801134043
Energy: 1.3898904006182446
Energy: 1.5115162801120343
Energy: 1.4592747436377627
Energy: 1.645660684741753
Energy: 1.4005183530649243
Energy: 1.6456606847027029
Energy: 1.397362680668439
Energy: 1.4830853224085399
Energy: 1.6159331233871692
Energy: 1.4830853224085399
Energy: 1.5201829297067544
Energy: 1.675595331828857
Energy: 1.4160139894451598
Energy: 1.675595331829542
Energy: 1.3917114386024936
Energy: 1.436501601677098
Energy: 1.4458914391731843
Energy: 1.4365016016757277
Energy: 1.4675362833742323
Energy: 1.4948030883584356
Energy: 1.4225309709760954
Energy: 1.4948030883611758
Energy: 1.410200194027606
Energy: 1.6602112191252396
Energy: 1.3933663918502472
Energy: 1.6602112191252396
Energy: 1.4545395451209229
Energy: 1.5176566735600963
Energy: 1.4057879364168204
Energy: 1.5176566735607815

minimum gb energy = 1.3879003055499775 eV
minimum distance =  2.21227279459933 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.270903503870132
Energy: 1.2711483504894812
Energy: 1.6882145010100287
Energy: 1.2711483504894812
Energy: 1.271337092060633
Energy: 1.311163723969967
Energy: 1.29275677472922
Energy: 1.3111637239681746
Energy: 1.2893746136641857
Energy: 1.4888483530948409
Energy: 2.1010962493419365
Energy: 1.4888483530948409
Energy: 1.6101611685401227
Energy: 1.3112883372684037
Energy: 1.2932354447526908
Energy: 1.3112883372684037
Energy: 1.2888888806426344
Energy: 1.3858367563855531
Energy: 2.001519394686638
Energy: 1.3858367563855531
Energy: 1.2889899696307716
Energy: 1.2716287134939797
Energy: 1.2704473513250516
Energy: 1.2716287134939797
Energy: 1.2895335911441703
Energy: 1.4892579447124443
Energy: 1.2709086716668108
Energy: 1.4892579447124443
Energy: 1.2986338424090027
Energy: 1.7470354242306543
Energy: 1.29242212399921
Energy: 1.7470354242306543
Energy: 1.288840427685284
Energy: 1.3859213465938212
Energy: 1.3407190378239047
Energy: 1.3859213465938212
Energy: 1.3109617539692449
Energy: 1.6433295183454724
Energy: 1.288867543872643
Energy: 1.6433295183454724
Energy: 1.2705878146394312
Energy: 1.311975160697316
Energy: 1.2890062970946203
Energy: 1.311975160697316
Energy: 1.2708286838764817
Energy: 1.4849773578292602
Energy: 1.2927273378125195
Energy: 1.4849773578292602
Energy: 1.288896721563999
Energy: 1.272326310285544
Energy: 1.3082825065550996
Energy: 1.272326310285544
Energy: 1.2889285510257573
Energy: 1.3817480643587856
Energy: 1.2890036926895319
Energy: 1.3817480643587856
Energy: 1.2946564857768812
Energy: 1.2723126634574131
Energy: 1.2889211639028444
Energy: 1.2723126634574131

minimum gb energy = 1.2704473513250516 eV
minimum distance =  2.23727058378659 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.2724352236185372
Energy: 1.6692814454729572
Energy: 1.8955668318936858
Energy: 1.6692814454752114
Energy: 1.610447234434596
Energy: 1.6907757064516844
Energy: 1.2293216233398365
Energy: 1.690775706450933
Energy: 1.2393063544961274
Energy: 1.7331040829549367
Energy: 1.4752467185878788
Energy: 1.733104082953434
Energy: 1.259834073792525
Energy: 1.6902494375419688
Energy: 1.2271781095868253
Energy: 1.6902494375427202
Energy: 1.2461777405928776
Energy: 1.508228542453809
Energy: 1.3107835999877668
Energy: 1.5082285424635764
Energy: 1.2552730377120447
Energy: 1.4829866203257267
Energy: 1.2461903359041806
Energy: 1.4829866203167106
Energy: 1.2456290134774404
Energy: 1.701728301973013
Energy: 1.6953788489988852
Energy: 1.701728301970759
Energy: 1.2712471015569733
Energy: 1.75535513739639
Energy: 1.2463610899584765
Energy: 1.7553551373978928
Energy: 1.2461807364158966
Energy: 1.7007374793256533
Energy: 1.4323730892454496
Energy: 1.7007374793249017
Energy: 1.471462139687445
Energy: 1.5290032926533732
Energy: 1.2274275382535285
Energy: 1.5290032926533732
Energy: 1.2460644404092702
Energy: 1.528226955497716
Energy: 1.25988756845863
Energy: 1.5282269554992185
Energy: 1.6157612943663544
Energy: 1.5306179155029522
Energy: 1.2350355661622536
Energy: 1.5306179155037032
Energy: 1.2870914271688483
Energy: 1.4721208876873815
Energy: 1.237618625133722
Energy: 1.4721208876918896
Energy: 1.6344652177958074
Energy: 1.529781910942064
Energy: 1.236211064333906
Energy: 1.5297819109368045
Energy: 1.2459235084240254
Energy: 1.738863608756492
Energy: 1.2373540307695636
Energy: 1.738863608754989
Energy: 1.2279699745334263
Energy: 1.529170343665529
Energy: 1.2243486998690198
Energy: 1.5291703436647777
Energy: 1.2431698294127211
Energy: 1.4987734919774367
Energy: 1.2243141412430654
Energy: 1.4987734919781883
Energy: 1.2605461510507507
Energy: 1.6961446672444906
Energy: 1.2422141176125443
Energy: 1.6961446672444906
Energy: 1.2427496017815636
Energy: 1.8062635498972697
Energy: 1.2422860454148834
Energy: 1.8062635498965183
Energy: 1.2426366640182045
Energy: 1.6974505344712278
Energy: 1.242135488442031
Energy: 1.6974505344674713
Energy: 1.2595013964663868
Energy: 1.6959295630121123
Energy: 1.242401188607321
Energy: 1.695929563013615
Energy: 1.2425148691509105
Energy: 1.4987716449327455
Energy: 1.2241730920666214
Energy: 1.4987716449229782
Energy: 1.228119807052648
Energy: 1.529448397091396
Energy: 1.2236081917179107
Energy: 1.529448397092147
Energy: 1.2458572477772507
Energy: 1.7278743767989437
Energy: 1.2661898633080753
Energy: 1.7278743768049543
Energy: 1.6356553481756617
Energy: 1.5298672912348592
Energy: 1.2359417594399424
Energy: 1.5298672912371134
Energy: 1.2868243978694687
Energy: 1.4718771818708278
Energy: 1.2662674147323214
Energy: 1.4718771818723306
Energy: 1.615753624000506
Energy: 1.5298310973348466
Energy: 1.2356479654873829
Energy: 1.5298310973371008
Energy: 1.2461548404763954
Energy: 1.527869022457935
Energy: 1.2596513896971457
Energy: 1.527869022460189
Energy: 1.459089562259499
Energy: 1.5307143830800356
Energy: 1.2273918608004621
Energy: 1.5307143831852215
Energy: 1.2459655054396606
Energy: 1.7007245351382931
Energy: 1.6171900175046299
Energy: 1.7007245351412987
Energy: 1.2710136037602648
Energy: 1.755802431526378
Energy: 1.2463114253278105
Energy: 1.7558024315248753
Energy: 1.245660652375636
Energy: 1.7025468843096125
Energy: 1.7819889854970277
Energy: 1.702546884313369
Energy: 1.2567353107763075
Energy: 1.4845324700981886
Energy: 1.2461682666310268
Energy: 1.4845324700944318
Energy: 1.2457493844620937
Energy: 1.5075646285822244
Energy: 1.3107375285625873
Energy: 1.5075646285822244
Energy: 1.2603366122186361
Energy: 1.6904323087192723
Energy: 1.227261152706596
Energy: 1.690432308720775

minimum gb energy = 1.2236081917179107 eV
minimum distance =  2.13966070808238 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.1731006209546886
Energy: 1.1727522697062547
Energy: 1.5425017333697444
Energy: 1.1727522697062547
Energy: 1.2639468503301157
Energy: 1.5062899577954623
Energy: 1.1296940493748922
Energy: 1.5062899577954623
Energy: 1.1407068924190602
Energy: 1.861341702452654
Energy: 1.9511692869887258
Energy: 1.861341702452654
Energy: 1.1174606489814132
Energy: 1.506187135121488
Energy: 1.1296160526175225
Energy: 1.506187135121488
Energy: 1.127558588115322
Energy: 1.5054527194203695
Energy: 1.5646320932066673
Energy: 1.5054527194203695
Energy: 1.89289055036417
Energy: 1.5060989982591881
Energy: 1.1218003094089422
Energy: 1.5060989982591881
Energy: 1.161213477230923
Energy: 1.866263340656093
Energy: 1.456893246981821
Energy: 1.866263340656093
Energy: 1.1275202752079618
Energy: 1.1728932730091197
Energy: 1.1765501408501788
Energy: 1.1728932730091197
Energy: 1.1276578865733666
Energy: 1.5232460683602307
Energy: 1.6293398617648405
Energy: 1.5232460683602307
Energy: 1.9493129031292455
Energy: 1.537646593651342
Energy: 1.1217552650456035
Energy: 1.537646593651342
Energy: 1.161048949124766
Energy: 1.86000734915514
Energy: 1.1178567472153804
Energy: 1.86000734915514
Energy: 1.5123079523610716
Energy: 1.1722404360867937
Energy: 1.1297902262706783
Energy: 1.1722404360855012
Energy: 1.1173623048891241
Energy: 1.5232857221556542
Energy: 1.1402671456756002
Energy: 1.5232857221556542
Energy: 1.454606486862912
Energy: 1.8610318890487387
Energy: 1.1272496281002586
Energy: 1.8610318890500315
Energy: 1.1723015562468602
Energy: 1.2289795723084165
Energy: 1.1274136275588247
Energy: 1.2289795723084165
Energy: 1.1725726519021669
Energy: 1.523515518426208
Energy: 1.1297554023757783
Energy: 1.523515518426208
Energy: 1.1173580744836835
Energy: 1.5370756291749184
Energy: 1.1766614267116005
Energy: 1.5370756291749184
Energy: 1.117695633764956
Energy: 1.8646313321073762
Energy: 1.1273439484520646
Energy: 1.8646313321073762
Energy: 1.127328320595696
Energy: 1.1731925498420068
Energy: 1.127414744784884
Energy: 1.1731925498420068
Energy: 1.1275055799900855
Energy: 1.5235331225074589
Energy: 1.1175716224700811
Energy: 1.5235331225074589

minimum gb energy = 1.1173580744836835 eV
minimum distance =  2.23383998626178 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.084828649011579
Energy: 1.5676505589956855
Energy: 1.4801194571366334
Energy: 1.5676505589956855
Energy: 1.3506327300419556
Energy: 1.5871022294724357
Energy: 1.0296434112752897
Energy: 1.5871022294734454
Energy: 1.0236244001643213
Energy: 1.0236118807692465
Energy: 1.923368673805166
Energy: 1.0236118807692465
Energy: 1.1058406990358585
Energy: 1.5881485449029498
Energy: 1.02968434600556
Energy: 1.5881485449019404
Energy: 1.0321214481619814
Energy: 1.5878903206746502
Energy: 1.4660991759903272
Energy: 1.5878903206746502
Energy: 1.4662111455233098
Energy: 1.588347747959442
Energy: 1.0297130404357961
Energy: 1.5883477479584327
Energy: 1.0326174518735685
Energy: 1.3005421605668017
Energy: 1.3038112720847939
Energy: 1.3005421605678111
Energy: 1.4823537888917147
Energy: 1.3560212328465286
Energy: 1.0258234534170203
Energy: 1.3560212328445098
Energy: 1.0319904656676446
Energy: 1.5869163432121562
Energy: 1.4677823571108923
Energy: 1.5869163432121562
Energy: 1.0036349896627257
Energy: 1.5626512959700767
Energy: 1.0869574434623437
Energy: 1.5626512959700767
Energy: 1.0325478011522569
Energy: 1.3007982124867474
Energy: 1.5195498229272388
Energy: 1.3007982124857382
Energy: 1.7905525302215253
Energy: 1.6287248417862823
Energy: 1.025844162927172
Energy: 1.6287248417862823
Energy: 1.0319904933455974
Energy: 1.58811173448764
Energy: 1.263251541304555
Energy: 1.58811173448764
Energy: 1.767369943005279
Energy: 1.6237158272793593
Energy: 1.0297390759077671
Energy: 1.6237158272793593
Energy: 1.0324413088235815
Energy: 1.3008006909062193
Energy: 0.9981656300828818
Energy: 1.3008006909062193
Energy: 1.31348932224758
Energy: 1.6850253704628386
Energy: 1.0303435640404066
Energy: 1.6850253704628386
Energy: 1.0319452388112262
Energy: 1.3555010513740957
Energy: 1.017027584278975
Energy: 1.3555010513740957
Energy: 1.288248223947996
Energy: 1.587514797463784
Energy: 1.029635908164327
Energy: 1.587514797463784
Energy: 1.0927792075904377
Energy: 1.561637265961789
Energy: 1.0044303412709803
Energy: 1.561637265961789
Energy: 1.5136788781428465
Energy: 1.6507115011701672
Energy: 1.030221285764058
Energy: 1.6507115011701672
Energy: 1.0291065121655647
Energy: 1.6782589544482085
Energy: 1.009416939170915
Energy: 1.6782589544482085
Energy: 1.0235902059226616
Energy: 1.5873609123851593
Energy: 1.0300870395340203
Energy: 1.58736091238415
Energy: 1.032410512339766
Energy: 1.6219223487674064
Energy: 1.3294607616285212
Energy: 1.6219223487663965
Energy: 0.997985040556753
Energy: 1.636302305927337
Energy: 1.0307923597046116
Energy: 1.6363023059283464
Energy: 1.0303034823164046
Energy: 1.6783807055610367
Energy: 1.3132135327593726
Energy: 1.6783807055610367
Energy: 1.004175712237902
Energy: 1.3555884111903496
Energy: 1.0233771920043788
Energy: 1.3555884111893404

minimum gb energy = 0.997985040556753 eV
minimum distance =  2.15685370189493 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.3627954685674977
Energy: 1.4115317805631638
Energy: 1.4014707853240462
Energy: 1.4115317805615089
Energy: 1.3919368724204186
Energy: 1.3925642022285838
Energy: 0.9247942803290672
Energy: 1.3925642022285838
Energy: 0.9523243526718548
Energy: 1.3810234052930452
Energy: 1.6665810668734893
Energy: 1.3810234052930452
Energy: 1.1910571535735308
Energy: 1.3940726235351757
Energy: 0.9247560605278607
Energy: 1.3940726235343481
Energy: 0.9183635581449995
Energy: 1.4317124678831783
Energy: 0.9969734817172297
Energy: 1.4317124678856608
Energy: 0.99066936457359
Energy: 1.3931521126293747
Energy: 0.9245727340775609
Energy: 1.3931521126293747
Energy: 0.9234107460985953
Energy: 1.3932647039150943
Energy: 1.1722424213651617
Energy: 1.393264703915922
Energy: 1.392808677172966
Energy: 1.185939270378796
Energy: 0.9196758962374745
Energy: 1.1859392703796237
Energy: 0.9284217688068952
Energy: 1.4816544664190323
Energy: 1.5502781304140727
Energy: 1.4816544664198599
Energy: 1.7842810669988647
Energy: 1.3823097932422606
Energy: 0.9536498273187562
Energy: 1.382309793243088
Energy: 0.923536625364715
Energy: 1.3934584793426987
Energy: 1.5180765443816784
Energy: 1.3934584793426987
Energy: 0.9098072849190222
Energy: 1.411857893023469
Energy: 1.3436474708375212
Energy: 1.4118578930226418
Energy: 0.9283892718379492
Energy: 1.4827557085929401
Energy: 1.5977457297824689
Energy: 1.4827557085937677
Energy: 1.6644241636677584
Energy: 1.539683253573387
Energy: 0.9535908458154352
Energy: 1.539683253573387
Energy: 0.9235852598278392
Energy: 1.3930900495229543
Energy: 1.3317435029252085
Energy: 1.3930900495229543
Energy: 1.6508390258308157
Energy: 1.4146447575118246
Energy: 0.9196826291138644
Energy: 1.4146447575118246
Energy: 0.9283513734556188
Energy: 1.4824986359960046
Energy: 1.1239524615310006
Energy: 1.482498635995177
Energy: 1.1856659527898394
Energy: 1.5403141463757168
Energy: 0.9245845770989932
Energy: 1.5403141463765446
Energy: 0.9234625930508205
Energy: 1.1855637008738467
Energy: 0.9054638071235597
Energy: 1.1855637008746742
Energy: 1.1740295330726103
Energy: 1.4800886670032638
Energy: 0.927887502768622
Energy: 1.4800886670032638
Energy: 0.9571345709813975
Energy: 1.4823799177541488
Energy: 0.9186300825947149
Energy: 1.4823799177541488
Energy: 1.5087847573609818
Energy: 1.5584576181403476
Energy: 0.9246985668525579
Energy: 1.5584576181403476
Energy: 1.3433048100037828
Energy: 1.4079601268427973
Energy: 0.9096142211976683
Energy: 1.4079601268427973
Energy: 1.3431925629706571
Energy: 1.4808723188346835
Energy: 0.9278512912844478
Energy: 1.4808723188346835
Energy: 0.9572248152624875
Energy: 1.5452521932607637
Energy: 0.9264440671138497
Energy: 1.5452521932607637
Energy: 1.3237777040105365
Energy: 1.5595553754020155
Energy: 0.9247257710370372
Energy: 1.559555375401188
Energy: 0.9236365483923346
Energy: 1.4784417924881395
Energy: 1.1866787081074444
Energy: 1.4784417924881395
Energy: 0.918784325078359
Energy: 1.4802642404407877
Energy: 0.9281560159133474
Energy: 1.4802642404399602
Energy: 0.9284571757812434
Energy: 1.5428722643811204
Energy: 1.1854369494987491
Energy: 1.5428722643811204
Energy: 0.9051076480504071
Energy: 1.5262764848009667
Energy: 0.9295555032019432
Energy: 1.5262764848034491
Energy: 0.923798068815684
Energy: 1.4780825192747746
Energy: 1.1736532032892155
Energy: 1.4780825192731195
Energy: 0.9099251095283031
Energy: 1.479813034682687
Energy: 0.9630649518577289
Energy: 1.479813034682687

minimum gb energy = 0.9051076480504071 eV
minimum distance =  2.13398477489915 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.2351989773965335
Energy: 1.4117286628653487
Energy: 1.3392685007104204
Energy: 1.4117286628646477
Energy: 1.412910031383464
Energy: 1.3360090390851787
Energy: 0.8639300082381939
Energy: 1.3360090390851787
Energy: 0.8925908413078285
Energy: 1.2579670105385083
Energy: 1.5693789123791
Energy: 1.2579670105378074
Energy: 1.2424220980599516
Energy: 1.3359154517353684
Energy: 0.8638014226264346
Energy: 1.3359154517346674
Energy: 0.8599562479599516
Energy: 1.3493249944673869
Energy: 1.335181748820249
Energy: 1.3493249944673869
Energy: 1.0725894298963121
Energy: 1.3370296949026468
Energy: 0.8638624721216713
Energy: 1.3370296949026468
Energy: 0.8628452525635363
Energy: 1.270849866137852
Energy: 1.0626003558935835
Energy: 1.270849866138553
Energy: 0.9028590255864503
Energy: 1.273619262691978
Energy: 0.8636921591144677
Energy: 1.2736192626905762
Energy: 0.8662552903315793
Energy: 1.4195610702291843
Energy: 1.2406340971413883
Energy: 1.4195610702298855
Energy: 1.3360029693800888
Energy: 1.3343864830095373
Energy: 0.8607569901506922
Energy: 1.3343864830102383
Energy: 0.8630347418610119
Energy: 1.3354136934241476
Energy: 1.3892836979852587
Energy: 1.3354136934234466
Energy: 1.7626939145320635
Energy: 1.2588743297520948
Energy: 0.8933181733920348
Energy: 1.2588743297513936
Energy: 0.8663427085168454
Energy: 1.420314356303177
Energy: 1.4948836131619005
Energy: 1.420314356303177
Energy: 0.8363069230726017
Energy: 1.4094137012832768
Energy: 1.2207846107121556
Energy: 1.4094137012832768
Energy: 0.8629718486783301
Energy: 1.3352728107316587
Energy: 1.5333352356199932
Energy: 1.3352728107309577
Energy: 1.5666943027314275
Energy: 1.2589451577218262
Energy: 0.8931189054147265
Energy: 1.2589451577211253
Energy: 0.8662278752547249
Energy: 1.420146456072758
Energy: 1.3464204963656659
Energy: 1.4201464560720567
Energy: 1.5576071844719095
Energy: 1.4211641322475115
Energy: 0.8606516892779665
Energy: 1.4211641322461095
Energy: 0.8631491466769206
Energy: 1.334569609994495
Energy: 1.1922116042589181
Energy: 1.334569609993794
Energy: 1.0648786116975242
Energy: 1.3277878359153887
Energy: 0.8638888425859413
Energy: 1.32778783591609
Energy: 0.8661825823954477
Energy: 1.3632010670066428
Energy: 1.0207115868007892
Energy: 1.3632010670066428
Energy: 1.0743908549385006
Energy: 1.4152521150651378
Energy: 0.8698936447260589
Energy: 1.4152521150651378
Energy: 0.8629152540435823
Energy: 1.3363085590825377
Energy: 0.8325206911610393
Energy: 1.3363085590804347
Energy: 1.3892485016290024
Energy: 1.3281659832320525
Energy: 0.8639083913574908
Energy: 1.3281659832327537
Energy: 0.895478657197525
Energy: 1.3651054543579395
Energy: 0.8389503994952043
Energy: 1.3651054543586407
Energy: 1.363911090835144
Energy: 1.4196710097929317
Energy: 0.8699604072101685
Energy: 1.4196710097922303
Energy: 1.2194857375559023
Energy: 1.407982111239849
Energy: 0.8365637986402353
Energy: 1.4079821112391477
Energy: 1.5232918770536363
Energy: 1.3335699442516482
Energy: 0.8638940501904714
Energy: 1.3335699442516482
Energy: 0.8955742360154669
Energy: 1.4441976506066228
Energy: 0.8369121389063615
Energy: 1.4441976506066228
Energy: 1.1958045627771985
Energy: 1.4190524225731342
Energy: 0.8699358173813238
Energy: 1.4190524225731342
Energy: 0.8630035779809585
Energy: 1.4178010570602841
Energy: 1.073823595491508
Energy: 1.4178010570609851
Energy: 1.1837724419494011
Energy: 1.342543777726652
Energy: 0.8639503110754151
Energy: 1.342543777727353
Energy: 0.8661194685595345
Energy: 1.4501759336931785
Energy: 1.0716379647535825
Energy: 1.4501759336931785
Energy: 0.8407388002572926
Energy: 1.3620011576105522
Energy: 0.8700508526582883
Energy: 1.3620011576112532
Energy: 0.8575127034554592
Energy: 1.4199198376774371
Energy: 1.0728386009845086
Energy: 1.4199198376774371
Energy: 0.8324963941524167
Energy: 1.3333960053065306
Energy: 0.8670761873909787
Energy: 1.3333960053051286
Energy: 0.8660647538266921
Energy: 1.4501839785770974
Energy: 1.3895116817609292
Energy: 1.4501839785763964

minimum gb energy = 0.8324963941524167 eV
minimum distance =  2.23654840478622 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.2341943638281403
Energy: 1.342481806281035
Energy: 1.2741150123184957
Energy: 1.342481806281643
Energy: 1.501172851892847
Energy: 1.2437532960065651
Energy: 0.792517991604398
Energy: 1.2437532960065651
Energy: 1.1969510270210677
Energy: 1.1854869522042182
Energy: 0.9636919554863108
Energy: 1.1854869522048261
Energy: 1.3569031023570541
Energy: 1.2461634682161469
Energy: 0.7924971676639876
Energy: 1.246163468216755
Energy: 0.9108894997218738
Energy: 1.1849123839689912
Energy: 0.8844745806915599
Energy: 1.1849123839689912
Energy: 1.235269179557858
Energy: 1.1854696002331264
Energy: 0.7923310103755248
Energy: 1.1854696002331264
Energy: 0.8701886340581448
Energy: 1.1245259848058524
Energy: 1.0305090914503567
Energy: 1.1245259848052442
Energy: 1.0911278806928624
Energy: 1.2427345749195697
Energy: 0.8028088831356723
Energy: 1.2427345749183536
Energy: 0.8014338633270046
Energy: 1.1509042648007495
Energy: 1.1876673259277952
Energy: 1.1509042647989256
Energy: 0.9483082416323011
Energy: 1.141959723699347
Energy: 0.8709606953295831
Energy: 1.1419597236981311
Energy: 0.7920083829985448
Energy: 1.2457055698311483
Energy: 1.33525773670259
Energy: 1.2457055698305406
Energy: 1.3431841494350165
Energy: 1.2785716380856882
Energy: 0.9139295601102224
Energy: 1.2785716380856882
Energy: 0.7917661816270745
Energy: 1.150519327922131
Energy: 1.4419611774800838
Energy: 1.150519327922131
Energy: 1.2720725330356315
Energy: 1.1840867899569367
Energy: 1.1850915127073265
Energy: 1.184086789957545
Energy: 0.7924001123509538
Energy: 1.2445380985342533
Energy: 1.5496210826477013
Energy: 1.244538098534861
Energy: 0.7535496473325191
Energy: 1.3056077021398833
Energy: 1.1553489618643047
Energy: 1.3056077021398833
Energy: 0.7915998954583414
Energy: 1.1541725472484283
Energy: 1.4886779375407957
Energy: 1.154172547247212
Energy: 0.9638706320167096
Energy: 1.1843503346247717
Energy: 1.185164672244345
Energy: 1.1843503346247717
Energy: 0.7923309884539491
Energy: 1.2462668590144674
Energy: 1.4180747154458315
Energy: 1.2462668590144674
Energy: 0.963235627135933
Energy: 1.4033397808537826
Energy: 0.9139975746827289
Energy: 1.4033397808543908
Energy: 0.7930793966509583
Energy: 1.0291419829282908
Energy: 1.344847699172373
Energy: 1.0291419829282908
Energy: 1.030874311494236
Energy: 1.1652495877240048
Energy: 0.8711422856167104
Energy: 1.1652495877227889
Energy: 0.8023137291675804
Energy: 1.2422800029589551
Energy: 1.1431719754856842
Energy: 1.2422800029577388
Energy: 1.0453605671897626
Energy: 1.3297728808383285
Energy: 0.8025795901156377
Energy: 1.3297728808377207
Energy: 0.869789052100451
Energy: 1.0352763754874394
Energy: 0.9897384969913537
Energy: 1.0352763754880474
Energy: 1.3357123649673102
Energy: 1.2422792287717117
Energy: 0.7933113370676858
Energy: 1.2422792287723197
Energy: 0.9129416150698816
Energy: 1.2776579294301773
Energy: 0.8284203997831008
Energy: 1.2776579294295694
Energy: 1.3338841156721795
Energy: 1.3290834402681764
Energy: 0.7925461241043499
Energy: 1.3290834402675682
Energy: 1.18443191872301
Energy: 1.1825824720193912
Energy: 0.7570310450110577
Energy: 1.1825824720181752
Energy: 1.549446187335628
Energy: 1.245154651751297
Energy: 0.7915466134980231
Energy: 1.245154651751297
Energy: 1.231830912965274
Energy: 1.32634650293262
Energy: 0.7545020386839038
Energy: 1.3263465029307964
Energy: 1.4588149838187134
Energy: 1.3284435746230523
Energy: 0.7926345141814409
Energy: 1.3284435746218362
Energy: 1.1843627633411384
Energy: 1.1825983655374581
Energy: 0.7583940752688404
Energy: 1.1825983655362424
Energy: 1.4181394511096137
Energy: 1.2464495608351913
Energy: 0.7933247316584376
Energy: 1.2464495608339756
Energy: 0.9129143433762629
Energy: 1.32845492375443
Energy: 0.9640948279572543
Energy: 1.328454923755646
Energy: 1.1522480998417703
Energy: 1.310755203731566
Energy: 0.7954300895704138
Energy: 1.310755203731566
Energy: 0.869772399738585
Energy: 1.1281004540760957
Energy: 1.0360750629191247
Energy: 1.1281004540767037
Energy: 1.1431833659453436
Energy: 1.2412913375224857
Energy: 0.8009159742360121
Energy: 1.2412913375224857
Energy: 0.8024341959680937
Energy: 1.3277561953651429
Energy: 1.0446109500564569
Energy: 1.3277561953657508
Energy: 0.8401634062627291
Energy: 1.2652347599528717
Energy: 0.8729764294435617
Energy: 1.2652347599522633
Energy: 0.7915337028852005
Energy: 1.212467335546612
Energy: 1.3357679302346184
Energy: 1.212467335546004
Energy: 0.8281206029657409
Energy: 1.273870272633807
Energy: 0.9122769691529519
Energy: 1.2738702726350226
Energy: 0.7918537170614429
Energy: 1.327926402579635
Energy: 1.334002221162441
Energy: 1.327926402579635

minimum gb energy = 0.7535496473325191 eV
minimum distance =  2.24502371303541 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020519071164483586
Energy: 0.021421726652867654
Energy: 1.8471558079828976
Energy: 0.02142172665240025
Energy: 1.1180138035088367
Energy: 0.4350040015988735
Energy: 0.43516851836293147
Energy: 0.4350040015979905
Energy: 0.020519071164483586
Energy: 0.021421726653335055
Energy: 1.8471558079961403
Energy: 0.02142172665193285
Energy: 1.1180138035088367
Energy: 0.4350040015988735
Energy: 0.43516852430968384
Energy: 0.4350040015979905
Energy: 0.020519071164483586
Energy: 0.021421726652867654
Energy: 1.847155807988818
Energy: 0.02142172665240025
Energy: 1.1180138035088367
Energy: 0.4350040015988735
Energy: 0.4351685121799854
Energy: 0.4350040015979905

minimum gb energy = 0.020519071164483586 eV
minimum distance =  2.48408830019027 Angstroms
sigma value = 1